5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

C11H17ClN4O — CID 136975021

IUPAC5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCCCC2)c1Cl
InChIInChI=1S/C11H17ClN4O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyUDIFQUVDOURYFG-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136975021) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136975021
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCCCC2)c1Cl
InChIInChI=1S/C11H17ClN4O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H2,13,14,15,17)
InChIKeyUDIFQUVDOURYFG-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
5-chloro-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009569
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
5-chloro-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672454
4-(5-aminopentylamino)-5-chloro-1H-pyrimidin-6-one
CID 136689845
5-chloro-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726426
5-chloro-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731502
5-chloro-4-[(3,3-dimethylpiperidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136733818
4-(6-aminohexylamino)-5-chloro-1H-pyrimidin-6-one
CID 136755778
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780970

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one (CID 136975021) is 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCN2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is UDIFQUVDOURYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-9-10(14-8-15-11(9)17)13-4-7-16-5-2-1-3-6-16/h8H,1-7H2,(H2,13,14,15,17).
What are the key properties of 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 256.74 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).